Showing papers on "Quadrupole published in 2008"
TL;DR: In this article, the authors reviewed the characteristics of pre-edge peaks in K-edge x-ray absorption near edge structure (XANES) spectra of 3d transition metals from viewpoints of the selection rule, coordination number, number of d-electrons, and symmetry of the coordination sphere.
Abstract: The characteristics of pre-edge peaks in K-edge x-ray absorption near edge structure (XANES) spectra of 3d transition metals were reviewed from viewpoints of the selection rule, coordination number, number of d-electrons, and symmetry of the coordination sphere. The contribution of the electric dipole and quadrupole transition to the peaks was discussed on the basis of the group theory, polarized spectra, and theoretical calculations. The pre-edge peak intensity for Td symmetry is larger than those for Oh symmetry for all 3d elements. The intense pre-edge peak for tetrahedral species of 3d transition metals is not due to 1s–3d transition, but transition to the p component in d–p hybridized orbital. The mixing of metal 4p orbitals with the 3d orbitals depends strongly on the coordination symmetry, and the possibility is predictable by group theory. The transition of 1s electron to d orbitals is electric quadrupole component in any of the symmetries. The d–p hybridization does not occur with regular octahedral symmetry, and the weak pre-edge peak consists of 1s–3d electric quadrupole transition. The pre-edge peak intensity for a compound with a tetrahedral center changes as a function of the number of 3d electrons regardless of the kind of element; it is maximized at d0 and gradually decreases to zero at d10. The features of pre-edge peaks in K-edge XANES spectra for 4d elements and the L1-edge for 5d elements are analogous with those for 3d elements, but the pre-edge peak is broadened due to the wide natural width of the core level. Copyright © 2008 John Wiley & Sons, Ltd.
565 citations
TL;DR: In this paper, a set of nuclear quadrupole moments, Q, is presented, and a major revision of the value or an improvement of the accuracy is reported for 38Sr, 49In, 50Sn (Mossbauer state), 51Sb, 57La, 80Hg and 88Ra.
Abstract: A ‘year-2008’ set of nuclear quadrupole moments, Q, is presented. Compared to the previous, ‘year-2001’ set, a major revision of the value or an improvement of the accuracy is reported for 38Sr, 49In, 50Sn (Mossbauer state), 51Sb, 57La, 80Hg and 88Ra. Slight improvements or valuable reconfirmations exist for 7N, 11Na, 13Al, 53I, 56Ba and 71Lu.
418 citations
TL;DR: In this article, a TD-DFT-based protocol was used to simulate the Cl K-edge spectra of a series of metal tetrachloride complexes and the influence of the chosen density functional, relativistics, basis set, and solvation has been systematically investigated, showing that good agreement between the calculated spectra and the relative experimental energies and intensities can be achieved by using the BP86 functional with standard polarized triple-ζ basis sets (such as the TZVP basis of Ahlrichs and co-workers).
208 citations
TL;DR: In this article, the optical extinction spectra of silver nanocubes with the edge length ranging from 15 to 200 nm was calculated by using the discrete dipole approximation method, and an increasing number of surface plasmon resonance (SPR) peaks appeared in the optical spectra, and their positions changed when the nanocube size increases.
Abstract: Metal nanoparticles have received increasing attention for their peculiar capability to control local surface plasmon resonance (SPR) when interacting with incident light waves. In this article, we calculate the optical extinction spectra of silver nanocubes with the edge length ranging from 15 to 200 nm by using the discrete dipole approximation method. An increasing number of SPR peaks appear in the optical spectra, and their positions change when the nanocube size increases. We have developed a method to quantitatively separate the contributions of the individual dipole component and quadrupole component of the optical extinction cross sections. This allows us to specify unambiguously the physical origin of each SPR peak in the spectra. We have also extensively analyzed the distribution patterns of electric fields and electric charges within and around the silver nanoparticle. These patterns clearly show the dipole and quadrupole excitation features at the SPR peaks. The near-field analyses are consistent with the far-field extinction spectra analyses. This suggests that the combination of far-field spectra and near-field pattern analysis can greatly help to uncover the intrinsic physics behind light interaction with metal nanoparticles and excitation dynamics of local surface plasmonic waves.
166 citations
04 May 2008
TL;DR: In this paper, the contribution of electric quadrupole resonance in optical metamaterials through numerical simulation is studied, and the individual contributions can be determined by angle-resolved scattering spectroscopy.
Abstract: Contribution of electric quadrupole resonance is studied in optical metamaterials through numerical simulation. For nanostructures, its radiation is often comparable to that from magnetic dipole. Their individual contributions can be determined by angle-resolved scattering spectroscopy.
141 citations
TL;DR: In this paper, a method based on mean field states generated by triaxial quadrupole constraints that are projected on particle number and angular momentum and mixed by the generator coordinate method on the quadrupoles moment is presented.
Abstract: We present a method based on mean-field states generated by triaxial quadrupole constraints that are projected on particle number and angular momentum and mixed by the generator coordinate method on the quadrupole moment. This method is equivalent to a seven-dimensional GCM calculation, mixing all five degrees of freedom of the quadrupole operator and the gauge angles for protons and neutrons. A first application to $^{24}\mathrm{Mg}$ permits a detailed analysis of the effects of triaxial deformations and of $K$ mixing.
127 citations
TL;DR: An analytical description for plane-wave propagation in metamaterials is presented in this article, which follows the usual approach for describing light propagation in homogeneous media on the basis of Maxwell's equations, although applied to a medium composed of metallic nanostructures.
Abstract: An analytical description for plane-wave propagation in metamaterials is presented. It follows the usual approach for describing light propagation in homogeneous media on the basis of Maxwell's equations, although applied to a medium composed of metallic nanostructures. Here, as an example, these nanostructures are double (or cut) wires. In the present approach it is assumed that the carriers perform collective oscillations in a single wire. These oscillations are coupled to those in the adjacent wire; thus, the internal carrier dynamics may be described by a coupled-oscillator model. The multipole expansion technique is used to account for the electric and magnetic dipole as well as the electric quadrupole moments of these carrier oscillations within the nanostructure. It turns out that the symmetric normal mode is related to the electric dipole moment whereas the antisymmetric normal mode evokes simultaneously a magnetic dipole and an electric quadrupole moment. It is shown how effective permittivity and permeability can be derived from analytical expressions for the dispersion relation, the magnetization, and the electric displacement field. The results of the analytical model are compared with rigorous simulations of Maxwell's equations yielding the limitations and the domain of applicability of the proposed model.
114 citations
TL;DR: This paper maps out the transverse charge density in proton and neutron as viewed from a light front moving towards a transversely polarized nucleon, which contains both monopole, dipole and quadrupole patterns, the latter corresponding with a deformation of the N and Delta charge distribution.
Abstract: Using only the current empirical information on the nucleon electromagnetic form factors we map out the transverse charge density in proton and neutron as viewed from a light front moving towards a transversely polarized nucleon. These charge densities are characterized by a dipole pattern, in addition to the monopole field corresponding with the unpolarized density. Furthermore, we use the latest empirical information on the $N\ensuremath{\rightarrow}\ensuremath{\Delta}$ transition form factors to map out the transition charge density which induces the $N\ensuremath{\rightarrow}\ensuremath{\Delta}$ excitation. This transition charge density in a transversely polarized $N$ and $\ensuremath{\Delta}$ contains both monopole, dipole and quadrupole patterns, the latter corresponding with a deformation of the $N$ and $\ensuremath{\Delta}$ charge distribution.
107 citations
TL;DR: Two hypersonic phononic gaps of different nature in three-dimensional colloidal films of nanospheres using Brillouin light scattering are observed, originating from the interaction of the band of quadrupole particle eigenmodes with the acoustic effective-medium band and the hybridization gap is robust.
Abstract: We report on the observation of two hypersonic phononic gaps of different nature in three-dimensional colloidal films of nanospheres using Brillouin light scattering One is a Bragg gap occurring at the edge of the first Brillouin zone along a high-symmetry crystal direction The other is a hybridization gap in crystalline and amorphous films, originating from the interaction of the band of quadrupole particle eigenmodes with the acoustic effective-medium band, and its frequency position compares well with the computed lowest eigenfrequency Structural disorder eliminates the Bragg gap, while the hybridization gap is robust
106 citations
TL;DR: In this paper, the energy levels of heteronuclear alkali-metal dimers in levels correlating with the lowest rotational level of the ground electronic state were investigated, which are important in efforts to produce ground-state ultracold molecules.
Abstract: We investigate the energy levels of heteronuclear alkali-metal dimers in levels correlating with the lowest rotational level of the ground electronic state, which are important in efforts to produce ground-state ultracold molecules. We use density-functional theory to calculate nuclear quadrupole and magnetic coupling constants for KRb and RbCs and explore the hyperfine structure in the presence of electric and magnetic fields. For nonrotating states, the zero-field splittings are dominated by the electron-mediated part of the nuclear spin-spin coupling. They are a few kilohertz for KRb isotopologs and a few tens of kilohertz for RbCs isotopologs.
104 citations
TL;DR: In this paper, the authors investigated the influence of the quadrupole component on the shape of the hotspots on rotating stars with complex magnetic fields using full 3D magnetohydrodynamic (MHD) simulations.
Abstract: Disc accretion to rotating stars with complex magnetic fields is investigated using full 3D magnetohydrodynamic (MHD) simulations. The studied magnetic configurations include superpositions of misaligned dipole and quadrupole fields and off-centre dipoles. The simulations show that when the quadrupole component is comparable to the dipole component, the magnetic field has a complex structure with three major magnetic poles on the surface of the star and three sets of loops of field lines connecting them. A significant amount of matter flows to the quadrupole 'belt', forming a ring-like hotspot on the star. If the maximum strength of the magnetic field on the star is fixed, then we observe that the mass accretion rate, the torque on the star and the area covered by hotspots are several times smaller in the quadrupole-dominant cases than in the pure dipole cases. The influence of the quadrupole component on the shape of the hotspots becomes noticeable when the ratio of the quadrupole and dipole field strengths Bq /B d ≥ 0.5. It becomes dominant in determining the shape of the hotspots when Bq /B d ≥ 1. We conclude that if the quadrupole component is larger than the dipole one, then the shape of the hotspots is determined by the quadrupole field component. In the case of an off-centre dipole field, most of the matter flows through a one-armed accretion stream, forming a large hotspot on the surface, with a second much smaller secondary spot. The light curves may have simple, sinusoidal shapes, thus mimicking stars with pure dipole fields. Or, they may be complex and unusual. In some cases, the light curves may be indicators of a complex field, in particular if the inclination angle is known independently. We also note that in the case of complex fields, magnetospheric gaps are often not empty, and this may be important for the survival of close-in exosolar planets.
TL;DR: In this article, a systematic investigation on vapor−liquid equilibria of dipolar and quadrupolar fluids is carried out by molecular simulation to develop a new Helmholtz energy contribution for equations of state (EOSs).
Abstract: A systematic investigation on vapor−liquid equilibria (VLEs) of dipolar and quadrupolar fluids is carried out by molecular simulation to develop a new Helmholtz energy contribution for equations of state (EOSs). Twelve two-center Lennard-Jones plus point dipole and point quadrupole model fluids (2CLJDQ) are studied for different reduced dipolar moments μ*2 = 6 or 12, reduced quadrupolar moments Q*2 = 2 or 4 and reduced elongations L* = 0, 0.505, or 1. Temperatures cover a wide range from about 55% to 95% of the critical temperature of each fluid. The NpT + test particle method is used for the calculation of vapor pressure, saturated densities, and saturated enthalpies. Critical data and the acentric factor are obtained from fits to the simulation data. On the basis of this data, an EOS contribution for the dipole−quadrupole cross-interactions of nonspherical molecules is developed. The expression is based on a third-order perturbation theory, and the model constants are adjusted to the present 2CLJDQ simu...
TL;DR: In this article, a kind of magneto-electric (ME) optics has been observed in non-centrosymmetric ferromagnetic materials, which can be explained from the microscopic point of view by the interference of an electric dipole process with a magnetic dipole (M1) or electric quadrupole (E2) process.
Abstract: Non-centrosymmetric ferromagnetic materials can show optical and x-ray responses unique to magneto-electrics For example, the refractive index and absorption coefficient may be dependent on the directions of light (x-ray) propagation k and magnetization M, and these dependences can be termed directional birefringence and directional dichroism, respectively Such a kind of magneto-electric (ME) optics has recently been observed in GaFeO3 and CuB2O4 The ME optics can be explained from the microscopic point of view by the interference of an electric dipole (E1) process with a magnetic dipole (M1) or electric quadrupole (E2) process at non-centrosymmetric magnetic sites Even in magnetic crystals with global inversion symmetry, the E1–E2 interference can occur at magnetic sites with local inversion breaking, causing unique x-ray diffraction Such ME-effect-related x-ray diffraction has been found in GaFeO3 and Fe3O4 Artificial breaking of space inversion by means of currently used techniques such as lithography can be applied to the exploration of multiferroics, as a way of investigating ME optics Relatively large ME optical signals at room temperature have been successfully observed in diffraction from such tailor-made multiferroics
TL;DR: The influence of electrostatic multipole moments up to hexadecapole on the dynamics of photodissociated carbon monoxide (CO) in myoglobin is investigated and the most detailed electrostatic model correctly reproduces the splitting, shift, and width of the CO spectrum in the B-state.
TL;DR: In this article, numerical solutions of the coupled system of Einstein-Maxwell equations with a linear approach were found, in which the magnetic field acts as a perturbation of a spherical neutron star.
Abstract: We find numerical solutions of the coupled system of Einstein-Maxwell equations with a linear approach, in which the magnetic field acts as a perturbation of a spherical neutron star. In our study, magnetic fields having both poloidal and toroidal components are considered, and higher order multipoles are also included. We evaluate the deformations induced by different field configurations, paying special attention to those for which the star has a prolate shape. We also explore the dependence of the stellar deformation on the particular choice of the equation of state and on the mass of the star. Our results show that, for neutron stars with mass M = 1.4 M ⊙ and surface magnetic fields of the order of 10 15 G, a quadrupole ellipticity of the order of 10 -6 to 10 -5 should be expected. Low-mass neutron stars are in principle subject to larger deformations (quadrupole ellipticities up to 10 -3 in the most extreme case). The effect of quadrupolar magnetic fields is comparable to that of dipolar components. A magnetic field permeating the whole star is normally needed to obtain negative quadrupole ellipticities, while fields confined to the crust typically produce positive quadrupole ellipticities.
TL;DR: In this article, the coupled plasmon resonances in a monolayer consisting of metal or metallodielectric nanoparticles with the dipole and quadrupole single-particle resonances were investigated.
Abstract: We report on the coupled plasmon resonances in a monolayer consisting of metal or metallodielectric nanoparticles with the dipole and quadrupole single-particle resonances. The theoretical models included spherical gold and silver particles and also gold and silver nanoshells on silica and polystyrene cores forming two dimensional random clusters or square-lattice arrays on a dielectric substrate (glass in water). The parameters of the individual particles were chosen so that a quadrupole plasmon resonance could be observed along with the dipole-scattering band. By using an exact multipole cluster-on-a-substrate solution, we showed that particle-substrate coupling can be neglected in the calculation of the monolayer-extinction spectra, at least for the glass-in-water configuration. When the surface particle density in the monolayer was increased, the dipole resonance became suppressed and the spectrum for the cooperative system was determined only by the quadrupole plasmon. The dependence of this effect on the single-particle parameters and on the cluster structure was examined in detail. In particular, the selective suppression of the long-wavelength extinction band was shown to arise from the cooperative suppression of the dipole-scattering mode, whereas the short-wavelength absorption spectrum for the monolayer was shown to be little different from the single-particle spectrum. For experimental studies, the silica/gold-nanoshell monolayers were fabricated by the deposition of nanoshells on a glass substrate functionalized by silane-thiol cross-linkers. The measured single-particle and monolayer-extinction spectra are in reasonable agreement with simulations based on the nanoshell geometrical parameters (scanning electron microscopy data). Finally, we evaluated the sensitivity of the coupled quadrupole resonance to the dielectric environment to show a universal linear relation between the relative shift in the coupled-quadrupole-resonance wavelength and the relative increment in the environment refractive index.
TL;DR: In this paper, the authors used the mean-field Hamiltonian to calculate the Curie-Weiss temperature with the formulas derived from the mean field Hamiltonian of LiFePO4, and found that the calculated Curie temperatures match well with that obtained by fitting the magnetic susceptibility curves to the modified CurieWeiss law.
Abstract: crystals The values of the in-plane nearest- and next-nearest-neighbor spin exchange J1 and J2, interplane spin exchange J, and single-ion anisotropy D, obtained recently from neutron scattering measurements, are used for calculating the Curie temperatures with the formulas derived from the mean-field Hamiltonian It is found that the calculated Curie temperatures match well with that obtained by fitting the magnetic susceptibility curves to the modified Curie-Weiss law For the polarized Fe K-edge x-ray absorption spectra of single-crystal LiFePO4, a different feature assignment for the 1s →4p transition features is proposed and the anisotropy in the intensities of the 1s →3d transition features is explained adequately by a one-electron theory calculation of the electric quadrupole transition terms in the absorption coefficient
TL;DR: In this paper, the authors performed Fourier transform microwave spectroscopy of benzonitrile, without and with applied electric fields, and derived accurate values for the rotational constants, centrifugal distortion constants, and nitrogen nuclear quadrupole coupling constants.
TL;DR: In this article, the nonaxisymmetric Ekman flow excited inside a neutron star following a rotational glitch is calculated analytically including stratification and compressibility, and it is shown that the viscosity, compressibility and orientation of the star can be inferred from the width and amplitude ratios of the Fourier peaks (at the spin frequency and its first harmonic) observed in the gravitational wave spectrum in the + and × polarizations.
Abstract: The nonaxisymmetric Ekman flow excited inside a neutron star following a rotational glitch is calculated analytically including stratification and compressibility. For the largest glitches, the gravitational wave strain produced by the hydrodynamic mass quadrupole moment approaches the sensitivity range of advanced long-baseline interferometers. It is shown that the viscosity, compressibility and orientation of the star can be inferred in principle from the width and amplitude ratios of the Fourier peaks (at the spin frequency and its first harmonic) observed in the gravitational wave spectrum in the + and × polarizations. These transport coefficients constrain the equation of state of bulk nuclear matter, because they depend sensitively on the degree of superfluidity.
TL;DR: In this article, the electromagnetic nucleon to delta transition form factors are evaluated using two degenerate flavors of dynamical Wilson fermions and using dynamical sea staggered Fermions with domain-wall valence quarks.
Abstract: The electromagnetic nucleon to {delta} transition form factors are evaluated using two degenerate flavors of dynamical Wilson fermions and using dynamical sea staggered fermions with domain-wall valence quarks. The two subdominant quadrupole form factors are evaluated for the first time in full QCD to sufficient accuracy to exclude a zero value, which is taken as a signal for deformation in the nucleon-{delta} system. For the Coulomb quadrupole form factor the unquenched results begin to deviate from the quenched results at low q{sup 2} indicating that dynamical lattice results are closer to experiment. This can be taken as a first confirmation of the expected importance of pion cloud contributions on this quantity.
TL;DR: The electric quadrupole moment and the magnetic moment of the 11Li halo nucleus have been measured with more than an order of magnitude higher precision than before, revealing a 8.8(1.5)% increase of the quadrupoles moment relative to that of 9Li.
Abstract: The electric quadrupole moment and the magnetic moment of the 11Li halo nucleus have been measured with more than an order of magnitude higher precision than before, |Q| = 33.3(5) mb and mu = +3.6712(3)muN, revealing a 8.8(1.5)% increase of the quadrupole moment relative to that of 9Li. This result is compared to various models that aim at describing the halo properties. In the shell model an increased quadrupole moment points to a significant occupation of the 1d orbits, whereas in a simple halo picture this can be explained by relating the quadrupole moments of the proton distribution to the charge radii. Advanced models so far fail to reproduce simultaneously the trends observed in the radii and quadrupole moments of the lithium isotopes.
TL;DR: A multipole decomposition analysis using distorted wave Born approximation with random phase approximation transition densities shows that both the GMR and the GQR exhaust a large fraction of the energy-weighted sum rule.
Abstract: The isoscalar giant monopole resonance (GMR) and giant quadrupole resonance (GQR) have been measured in the 56Ni unstable nucleus by inducing the 56Ni(d,d') reaction at 50A MeV in the Maya active target at the GANIL facility. The GMR and GQR centroids are measured at 19.3+/-0.5 MeV and 16.2+/-0.5 MeV, respectively. The corresponding angular distributions are extracted from 3 degrees to 7 degrees . A multipole decomposition analysis using distorted wave Born approximation with random phase approximation transition densities shows that both the GMR and the GQR exhaust a large fraction of the energy-weighted sum rule. The demonstration of this new method opens a broad range of giant resonance studies at intermediate-energy radioactive beam facilities.
TL;DR: Strong correlation with effective particle radius and zeta‐potential measurements suggests that the dielectrophoretic cof offers not just sensitive signatures for successful functionalization and hybridization but also those for three distinct DNA surface conformations that appear at different surface densities of hybridization.
Abstract: DNA-DNA hybridization reactions on 100 nm oligonucleotide-functionalized silica nanoparticles are found to sensitively affect the amplitude and direction of the dielectrophoretic mobility of the particles at nanomolar target ssDNA concentrations. Such sensitivity permits visual detection of the hybridization event without fluorescent labeling and confocal microscopy by imaging the cross-over frequency (cof) of the particle suspension on a quadrupole electrode array. Strong correlation with effective particle radius and zeta-potential measurements suggests that the dielectrophoretic cof offers not just sensitive signatures for successful functionalization and hybridization but also those for three distinct DNA surface conformations that appear at different surface densities of hybridized DNA. A properly normalized cof calibration chart allows simplified quantification of the target ssDNA concentrations. These results provide a simple, rapid and portable genetic detection method compatible for use outside the laboratory.
TL;DR: The surface plasmon modes of spherical and oblate spheroidal core-shell colloids composed of a 312 nm diameter silica core and a 20 nm thick Au shell are investigated in this article.
Abstract: The surface plasmon modes of spherical and oblate spheroidal core-shell colloids composed of a 312 nm diameter silica core and a 20 nm thick Au shell are investigated. Large arrays of uniaxially aligned core shell colloids with size aspect ratios ranging from 1.0 to 1.7 are fabricated using a novel ion irradiation technique. Angle- and polarization-resolved extinction spectroscopy is performed on the arrays. Extinction spectra on spherical particles reveal dipole, quadrupole, and octupole resonances in good agreement with calculations using Mie theory. Optical extinction measurements on oblate spheroidal core-shell show strong red- and blue-shifts for polarizations along major and minor axes, respectively, that increase with size anisotropy. The measured spectral shifts of the dipole, quadrupole, and octupole resonant modes with angle and anisotropy are in good agreement with T-matrix calculations. The data provide insight into the tunable resonant behavior of surface plasmons in oblate spheroidal core-shell particles.
TL;DR: In this article, a manifestly covariant quark model of the nucleon and the Delta was considered, where one quark is off-shell and the other two quarks form an on-shell diquark pair.
Abstract: We consider here a manifestly covariant quark model of the nucleon and the Delta, where one quark is off-shell and the other two quarks form an on-shell diquark pair. Using this model, we have shown previously that the nucleon form factors and the dominant form factor for the gamma N -> Delta transition (the magnetic dipole (M1) form factor) can be well described by nucleon and Delta wave functions with S-state components only. In this paper we show that non-vanishing results for the small electric (E2) and Coulomb (C2) quadrupole form factors can be obtained if D-state components are added to the $$\Delta$$ valence quark wave function. We present a covariant definition of these components and compute their contributions to the form factors. We find that these components cannot, by themselves, describe the data. Explicit pion cloud contributions must also be added and these contributions dominate both the E2 and the C2 form factors. By parametrizing the p
TL;DR: The current article explores the performance of this new rigid, nonpolarizable high-rank multipolar potential for the simulation of liquid water and corroborates the suggestion that the local hydrogen-bonded network remains largely intact even under such conditions.
Abstract: We propose a new rigid, nonpolarizable high-rank multipolar potential for the simulation of liquid water. The electrostatic interaction is represented by spherical tensor multipole moments on oxygen and hydrogen, up to hexadecupole. The Quantum Chemical Topology (QCT) method yields the atomic multipole moments from a MP2/aug-cc-p-VTZ electron density of a single water molecule in the gas phase. These moments reproduce the experimental molecular dipole and quadrupole moment within less than 1%. Given its high-rank multipole moments, used in conjunction with a consistent high-rank multipolar Ewald summation, the QCT potential is ideal to assess the performance of exhaustive “gas phase” electrostatics in molecular dynamics simulations of liquids. The current article explores the performance of this potential at 17 temperatures between −35 °C (238 K) and 90 °C (363 K) and at 7 pressures between 1 and 10 000 atm. The well-known maximum in the liquid's density at 4 °C is reproduced at 6 °C. Six bulk properties ...
TL;DR: The nature of the lowest energy bound-state transition in the Ru K-edge X-ray Absorption Spectra for a series of Grubbs-type ruthenium complexes was investigated and its relevance as a tool for the study of reactive intermediates was explored.
TL;DR: In this article, energy levels, radiative rates, oscillator strengths, line strengths, and lifetimes have been calculated for transitions in B-like to F-like Kr ions, Kr XXXIII-XXVIII.
TL;DR: It is found that the contribution of the electric-dipole--electric-quadrupole tensor is often small, except for some special cases that involve C-H stretching vibrations.
Abstract: We examine the importance of the electric-dipole--electric-quadrupole polarizability tensor in the intensity theory of Raman optical activity (ROA) spectra. Using density functional theory, ROA spectra of organic cyclic compounds, alanine, oligoalanines, and examples from the literature are analyzed in detail, and a statistical investigation is performed. It is found that the contribution of the electric-dipole--electric-quadrupole tensor is often small, except for some special cases that involve C-H stretching vibrations.
TL;DR: In this paper, the authors reported the measurement of optical isotope shifts for 40−44 Ar relative to 38 Ar from which changes in the mean square nuclear charge radii across the 1f7/2 neutron shell are deduced.